SCHEMBL880965

SCHEMBL880965

COc1ccc2c(c1)C=C(c1cccc(OCCN(C)C)c1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)O)cc21

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.46
MMP12 P39900 1/20 0.46
NR1I2 O75469 6/20 0.39
CYP3A4 P08684 3/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KCNH2 Q12809 7/20 0.38
SCN5A Q14524 2/20 0.38
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MTHFD2 P13995 1/20 0.34
HCRTR1 O43613 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL881051 0.89 KCNH2 (0.49) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL881023 0.88 PRKCA (0.51) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL881050 0.88 NR1I2 (0.41) PRKCAMMP12NR1I2
SCHEMBL881076 0.87 PRKCA (0.45) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL881003 0.81 PRKCA (0.49) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL5528023 0.80 PRKCA (0.47) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL881067 0.80 PRKCA (0.41) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL880937 0.80 PRKCA (0.40) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL3362404 0.79 PRKCA (0.41) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL4498396 0.79 NR1I2 (0.45) PRKCAMMP12NR1I2CYP3A4CYP2C9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2178878-B1 TETRACYCLIC COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2012-03-28 EP disclosed
US-7642251-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-05 US disclosed
US-7642251-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-05 US disclosed
WO-2009023487-A1 TETRACYCLIC COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2009-02-19 WO disclosed
US-20090042860-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2009-02-12 US disclosed
US-20090042860-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2009-02-12 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090042860-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 PRKCA 2143/4885MMP12 1631/4885NR1I2 189/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.